CAS
6299-23-6 Purity
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6299-23-6 Purity
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4-Nitro-1H-1,2,3-benzotriazole
CAS
6299-39-4
Catalog Number
ACM6299394
Category
Other Products
Molecular Weight
164.12
Molecular Formula
C6H4N4O2
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Specification
Synonyms
Benzotriazole, 4-nitro-, 4-Nitro-1H-benzotriazole, 1H-Benzotriazole, 4-nitro-, MLS000540987, 4-nitro-1H-1,2,3-benzotriazole, NSC44657, MolPort-001-757-733, CID80533, EINECS 228-579-7, ZINC05425412, SMR000126045, AE-641/30196004, A1991/0083711, 6299-39-4
IUPAC Name
4-nitro-2H-benzotriazole
SMILES
C1=CC2=NNN=C2C(=C1)[N+](=O)[O-]
InChI Key
UTMDJGPRCLQPBT-UHFFFAOYSA-N
Boiling Point
392.7ºC at 760 mmHg
Flash Point
191.3ºC
Density
1.638g/cm³
EC Number
228-579-7
Exact Mass
164.03300
Hazard Statements
Xi
H-Bond Acceptor
4
H-Bond Donor
1
Upstream Synthesis Route 1
- 95-14-7
- 6299-39-4
Reference: [1] Magnetic Resonance in Chemistry, 2009, vol. 47, # 2, p. 142 - 148
Upstream Synthesis Route 2
- 3694-52-8
- 6299-39-4
Reference: [1] Synthetic Communications, 2013, vol. 43, # 20, p. 2801 - 2808
Upstream Synthesis Route 3
- 95-14-7
- 6299-39-4
- 2338-12-7
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 17, p. 4791 - 4794
[2] Bulletin des Societes Chimiques Belges, 1984, vol. 93, # 11, p. 973 - 982
[3] Heterocycles, 2005, vol. 65, # 10, p. 2471 - 2481
Downstream Synthesis Route 1
- 6299-39-4
- 594-42-3
- 77065-96-4
Reference: [1]Patent: US2806035,1956,
Downstream Synthesis Route 2
- 6299-39-4
- 77-78-1
- 89795-90-4
Reference: [1]Patent: US2806035,1956,
Downstream Synthesis Route 3
- 6299-39-4
- 116975-12-3
Reference: [1]Collection of Czechoslovak Chemical Communications,1990,vol. 55,p. 1038 - 1048
[2]Journal of the American Chemical Society,1935,vol. 57,p. 1835,1838
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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